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Dodecylguanidine

Dodecylguanidine structure

CAS No:
112-65-2
Formula:
C13H29N3
Chemical Name:
Dodecylguanidine
Synonyms:
Guanidine,N-dodecyl-;Guanidine,dodecyl-;N-Dodecylguanidine;Dodecylguanidine;n-Dodecylguanidine;1-Dodecylguanidine;Dodine free base;Verichem N 2000;1135443-23-0
Categories:
Chemical Reagents > Organic Reagents

Description

ChEBI: A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide.

1-dodecylguanidine is a member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide. It has a role as an antibacterial agent and an antifungal agrochemical. It is a member of guanidines and an aliphatic nitrogen antifungal agent. It contains a dodecyl group and a guanidino group. It is a conjugate base of a 1-dodecylguanidine(1+).

Dodecylguanidine Basic Attributes

Molecular Weight：

227.39

Exact Mass：

227.39

UNII：

RNB1NU2RGG

DSSTox ID：

DTXSID8041907

HScode：

2925290090

Characteristics

PSA：

64.4

XLogP3：

4.67220

Density：

0.95 g/cm3

Melting Point：

136 °C

Boiling Point：

352.8ºC at 760 mmHg

Flash Point：

167.2ºC

Water Solubility：

0.00 M

Dodecylguanidine Use and Manufacturing

Use Classification：

Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Dodine has known environmental transformation products that include Decanol and Guanidine.

Computed Properties

Molecular Weight:227.39
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:11
Exact Mass:227.236147938
Monoisotopic Mass:227.236147938
Topological Polar Surface Area:64.4
Heavy Atom Count:16
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes